N,N,1-trimethyl-5-[[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methylamino]methyl]imidazol-2-amine

C17H28N6O — CID 154761200

IUPACN,N,1-trimethyl-5-[[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methylamino]methyl]imidazol-2-amine
SMILESCN(C)c1ncc(CNC[C@@H]2CCCO[C@H]2c2cnn(C)c2)n1C
InChIInChI=1S/C17H28N6O/c1-21(2)17-19-11-15(23(17)4)10-18-8-13-6-5-7-24-16(13)14-9-20-22(3)12-14/h9,11-13,16,18H,5-8,10H2,1-4H3/t13-,16+/m0/s1
InChIKeyCQVUHLKNPRWTPZ-XJKSGUPXSA-N
MW332.45 g/mol
LogP1.48
Rot. Bonds6

About N,N,1-trimethyl-5-[[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methylamino]methyl]imidazol-2-amine

N,N,1-trimethyl-5-[[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methylamino]methyl]imidazol-2-amine (PubChem CID 154761200) has the molecular formula C17H28N6O and a molecular weight of 332.45 g/mol. Its IUPAC name is N,N,1-trimethyl-5-[[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methylamino]methyl]imidazol-2-amine.

Molecular Properties

Compound NameN,N,1-trimethyl-5-[[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methylamino]methyl]imidazol-2-amine
PubChem CID154761200
Molecular FormulaC17H28N6O
Molecular Weight332.45 g/mol
Exact Mass332.23
IUPAC NameN,N,1-trimethyl-5-[[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methylamino]methyl]imidazol-2-amine
SMILESCN(C)c1ncc(CNC[C@@H]2CCCO[C@H]2c2cnn(C)c2)n1C
InChIInChI=1S/C17H28N6O/c1-21(2)17-19-11-15(23(17)4)10-18-8-13-6-5-7-24-16(13)14-9-20-22(3)12-14/h9,11-13,16,18H,5-8,10H2,1-4H3/t13-,16+/m0/s1
InChIKeyCQVUHLKNPRWTPZ-XJKSGUPXSA-N
XLogP1.48
TPSA60.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-2-[[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methylamino]methyl]pyridin-3-amine
CID 154761418
N-[[2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]propan-2-amine
CID 79365651
N,N-dimethyl-5-[[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]-1,3-thiazol-2-amine
CID 71929280
N-[(3-methylimidazol-4-yl)methyl]-1-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 154761416
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]methanamine
CID 97075757
N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 97007866
1-cyclopropyl-N-[[(2R,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]methanamine
CID 97217161
N,N,1-trimethyl-5-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]imidazol-2-amine
CID 80682636
N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 71929279
N-[(1-ethylpyrazol-4-yl)methyl]-1-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 97060263
1-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 97075466
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 97075465

Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethyl-5-[[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methylamino]methyl]imidazol-2-amine?
The IUPAC name of N,N,1-trimethyl-5-[[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methylamino]methyl]imidazol-2-amine (CID 154761200) is N,N,1-trimethyl-5-[[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methylamino]methyl]imidazol-2-amine.
What is the SMILES notation for N,N,1-trimethyl-5-[[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methylamino]methyl]imidazol-2-amine?
The canonical SMILES for N,N,1-trimethyl-5-[[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methylamino]methyl]imidazol-2-amine is CN(C)c1ncc(CNC[C@@H]2CCCO[C@H]2c2cnn(C)c2)n1C.
What is the InChIKey of N,N,1-trimethyl-5-[[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methylamino]methyl]imidazol-2-amine?
The InChIKey is CQVUHLKNPRWTPZ-XJKSGUPXSA-N. The full InChI is InChI=1S/C17H28N6O/c1-21(2)17-19-11-15(23(17)4)10-18-8-13-6-5-7-24-16(13)14-9-20-22(3)12-14/h9,11-13,16,18H,5-8,10H2,1-4H3/t13-,16+/m0/s1.
What are the key properties of N,N,1-trimethyl-5-[[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methylamino]methyl]imidazol-2-amine?
N,N,1-trimethyl-5-[[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methylamino]methyl]imidazol-2-amine has a molecular weight of 332.45 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethyl-5-[[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methylamino]methyl]imidazol-2-amine is sourced from PubChem (CID 154761200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).